Geometry & MOs

Info

ID:	251306
PubChem CID:	103102940
Reduced:	BrN2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	200.116092
ΔH_f, kcal/mol:	-115.03
Dipole, Da:	3.17
IP(EA), eV:	-8.17(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-[(2-amino-2-oxoethyl)-ethylamino]-2-methylbut-2-enoic acid

Drug info:

PubChemData

Smile

CCN(CC1=C(C=C(C=C1)C(=O)OC)Br)CC(=O)N

DOS

IR

Vibrations